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11H-Dibenzo[b,e][1,4]dioxepin-9-carboxylic acid, 6-hydroxy-3-methoxy-1,8-dimethyl-11-oxo-, methyl ester
SpectraBase Compound ID 54vebnKhG64
InChI InChI=1S/C18H16O7/c1-8-5-10(22-3)7-12-13(8)18(21)25-16-14(17(20)23-4)9(2)6-11(19)15(16)24-12/h5-7,19H,1-4H3
InChIKey BHWAGVBPAFTBBT-UHFFFAOYSA-N
Mol Weight 344.32 g/mol
Molecular Formula C18H16O7
Exact Mass 344.089603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID uyvilJDUg3
Name 11H-Dibenzo[b,e][1,4]dioxepin-9-carboxylic acid, 6-hydroxy-3-methoxy-1,8-dimethyl-11-oxo-, methyl ester
CAS Registry Number 72935-27-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O7
InChI InChI=1S/C18H16O7/c1-8-5-10(22-3)7-12-13(8)18(21)25-16-14(17(20)23-4)9(2)6-11(19)15(16)24-12/h5-7,19H,1-4H3
InChIKey BHWAGVBPAFTBBT-UHFFFAOYSA-N
Molecular Weight 344.319 g/mol
SMILES Oc1c2c(OC(c3c(cc(cc3O2)OC)C)=O)c(c(c1)C)C(=O)OC
SPLASH splash10-03ec-0189000000-a56586b6ffe79714f74f
Source of Spectrum KC-1979-2591-0
Synonyms Methyl 6-hydroxy-3-methoxy-1,8-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-9-carboxylate
Wiley ID 1337810